Paul G. Francoeur

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 6

Top Topics

Organic Chemistry

Prediction Error

Convolutional Neural Networks

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

Michael Brocidiacono, Paul G. Francoeur, Rishal Aggarwal, Konstantin I. Popov, David Ryan Koes, Alexander Tropsha
BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. J. Chem. Inf. Model. 64 (7) (2024)
Paul G. Francoeur, David Ryan Koes
SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility Prediction. J. Chem. Inf. Model. 61 (6) (2021)
Andrew T. McNutt, Paul G. Francoeur, Rishal Aggarwal, Tomohide Masuda, Rocco Meli, Matthew Ragoza, Jocelyn Sunseri, David Ryan Koes
GNINA 1.0: molecular docking with deep learning. J. Cheminformatics 13 (1) (2021)
Paul G. Francoeur, David Ryan Koes
Correction to "SolTranNet - A Machine Learning Tool for Fast Aqueous Solubility Prediction". J. Chem. Inf. Model. 61 (8) (2021)
Paul G. Francoeur, Tomohide Masuda, Jocelyn Sunseri, Andrew Jia, Richard B. Iovanisci, Ian Snyder, David Ryan Koes
Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design. J. Chem. Inf. Model. 60 (9) (2020)
Jocelyn Sunseri, Jonathan E. King, Paul G. Francoeur, David Ryan Koes
Convolutional neural network scoring and minimization in the D3R 2017 community challenge. J. Comput. Aided Mol. Des. 33 (1) (2019)